1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine

C12H25NO3S — CID 131947962

IUPAC1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-11(2)16-10-12-4-6-13(7-5-12)8-9-17(3,14)15/h11-12H,4-10H2,1-3H3
InChIKeyFFOGARBEENXMSF-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.17
Rot. Bonds6

About 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine

1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine (PubChem CID 131947962) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine
PubChem CID131947962
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-11(2)16-10-12-4-6-13(7-5-12)8-9-17(3,14)15/h11-12H,4-10H2,1-3H3
InChIKeyFFOGARBEENXMSF-UHFFFAOYSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine (CID 131947962) is 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine is CC(C)OCC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine?
The InChIKey is FFOGARBEENXMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2)16-10-12-4-6-13(7-5-12)8-9-17(3,14)15/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine?
1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine has a molecular weight of 263.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 131947962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).